CID 962510

537010-30-3

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C=O

InChI

InChI=1S/C16H14N2O/c1-12-6-8-13(9-7-12)10-18-15-5-3-2-4-14(15)17-16(18)11-19/h2-9,11H,10H2,1H3

InChIKey

GHLJKKLRCGLZRL-UHFFFAOYSA-N

Compound name

1-[(4-methylphenyl)methyl]benzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 250.11061 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.117886	156.4
[M+Na]+	273.099828	167.6
[M-H]-	249.103334	162.3
[M+NH4]+	268.144433	174.1
[M+K]+	289.073768	162.0
[M+H-H2O]+	233.107870	147.8
[M+HCOO]-	295.108811	179.9
[M+CH3COO]-	309.124461	169.7
[M+Na-2H]-	271.085276	162.4
[M]+	250.11006142	160.0
[M]-	250.11115858	160.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.